HRID1223708

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID69573

p-(Trifluoromethoxy)benzaldehyde

C8H5F3O2

结构：NNc1nc(NCc2ccc(Cl)nc2)nc(Nc2ccc(F)c(C(F)(F)F)c2)n1

HCID57507190

未命名化合物

PRODUCTS

生成物

结构：Fc1ccc(Nc2nc(NCc3ccc(Cl)nc3)nc(NN=Cc3ccc(OC(F)(F)F)cc3)n2)cc1C(F)(F)F

HCID74437664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ca3b099c1ec4eaab8fb4f496395c9d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:43][CH2:44][OH:45].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][NH:9][c:10]2[n:11][c:12]([NH:28][NH2:29])[n:13][c:14]([NH:16][c:17]3[cH:18][c:19]([C:24]([F:25])([F:26])[F:27])[c:20]([F:23])[cH:21][cH:22]3)[n:15]2)[cH:6][n:7]1.[F:30][C:31]([O:32][c:33]1[cH:34][cH:35][c:36]([CH:37]=[O:38])[cH:39][cH:40]1)([F:41])[F:42]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][NH:9][c:10]2[n:11][c:12]([NH:28][N:29]=[CH:37][c:36]3[cH:35][cH:34][c:33]([O:32][C:31]([F:30])([F:41])[F:42])[cH:40][cH:39]3)[n:13][c:14]([NH:16][c:17]3[cH:18][c:19]([C:24]([F:25])([F:26])[F:27])[c:20]([F:23])[cH:21][cH:22]3)[n:15]2)[cH:6][n:7]1